CFam Chemical Families Database
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You are searching for "CFAMM00388203" in compound.

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CFAM Mol ID CFAMM00388203
Family CFFBM8469 Substance-P receptor ligand 3-[bis(4-fluorophenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-one;hydrochloride family
Superfamily CFSBM4529 Substance-P receptor and Alpha-1A adrenergic receptor Binder Superfamily 2
Class CFCID944 Class 2294
External ID CHEMBL123488 External Source CHEMBL
PubChem CID 44347742 Functional Category Bioactive
Molecule Name AGN-PC-0752EO
IUPAC Name 2-hydroxybutanedioic acid;1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
Synonyms CHEBI:301899;2-hydroxybutanedioic acid;1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
InChi InChI=1S/C22H22F3NO.C4H6O5/c23-22(24,25)18-7-5-16(6-8-18)15-26-13-11-21(12-14-26)10-9-17-3-1-2-4-19(17)20(21)27;5-2(4(8)9)1-3(6)7/h1-8H,9-15H2;2,5H,1H2,(H,6,7)(H,8,9)
InChiKey HDNQPZIPBLGWKW-UHFFFAOYSA-N
Formula C22H22F3NO.C4H6O5 Molecular Weight 507.50
Cross Link CHEMBL123488
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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